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8BB4
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BU of 8bb4 by Molmil
Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with C3 linker
分子名称: Elongin-B, Elongin-C, WD repeat-containing protein 5, ...
著者Kraemer, A, Doelle, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-10-12
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization.
Cell Chem Biol, 30, 2023
8BB5
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Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with Aryl linker
分子名称: 1,2-ETHANEDIOL, Elongin-B, Elongin-C, ...
著者Kraemer, A, Doelle, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-10-12
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization.
Cell Chem Biol, 30, 2023
8JIG
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BU of 8jig by Molmil
A Novel UHRF1-Targeted Compound
分子名称: E3 ubiquitin-protein ligase UHRF1, N-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-N'-oxidanyl-octanediamide
著者Chen, Y, Jiang, L.
登録日2023-05-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A Novel UHRF1-Targeted Compound
To Be Published
8BFM
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Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ331
分子名称: Calcium/calmodulin-dependent protein kinase type 1D, SULFATE ION, pyrazolo[5,1-a]phthalazin-6-amine
著者Kraemer, A, Zhu, W.F, Hernandez-Olmos, V, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-10-26
公開日2022-11-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #2)
To Be Published
6GJM
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BU of 6gjm by Molmil
Cyclophilin A complexed with tri-vector ligand 4.
分子名称: Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-propyl-carbamoyl]amino]ethanoate
著者Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J.
登録日2018-05-16
公開日2018-11-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.354 Å)
主引用文献A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors.
Chem Sci, 10, 2019
6GS6
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BU of 6gs6 by Molmil
Cyclophilin A single mutant D66A in complex with an inhibitor.
分子名称: DIMETHYL SULFOXIDE, Peptidyl-prolyl cis-trans isomerase A, ethyl N-[(4-aminobenzyl)carbamoyl]glycinate
著者Georgiou, C, De Simone, A, Juarez-Jimenez, J, Walkinshaw, M.D, Michel, J.
登録日2018-06-13
公開日2019-06-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Dynamic design: manipulation of millisecond timescale motions on the energy landscape of cyclophilin A
Chem Sci, 2020
8B6L
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BU of 8b6l by Molmil
Subtomogram average of the human Sec61-TRAP-OSTA-translocon
分子名称: Dolichyl-diphosphooligosaccharide--protein glycosyltransferase 48 kDa subunit, Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1, Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 2, ...
著者Gemmer, M, Fedry, J.M.M, Forster, F.G.
登録日2022-09-27
公開日2022-12-07
最終更新日2023-02-08
実験手法ELECTRON MICROSCOPY (7.6 Å)
主引用文献Visualization of translation and protein biogenesis at the ER membrane.
Nature, 614, 2023
8B5B
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BU of 8b5b by Molmil
Human BRD4 bromdomain 1 in complex with a H4 peptide containing acetyl lysine and ApmTri (H4K5acK8ApmTri)
分子名称: Bromodomain-containing protein 4, DI(HYDROXYETHYL)ETHER, H4K5acK8ApmTri
著者Braun, M.B, Bartlick, N, Stehle, T.
登録日2022-09-22
公開日2023-01-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Synthesis, Biochemical Characterization, and Genetic Encoding of a 1,2,4-Triazole Amino Acid as an Acetyllysine Mimic for Bromodomains of the BET Family.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JNZ
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BU of 8jnz by Molmil
Human ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a pyrazolopyrimidine carboxamide inhibitor
分子名称: 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide, Poly [ADP-ribose] polymerase 1, processed C-terminus, ...
著者Wang, X.Y, Wang, C.Y, Zhou, J, Xu, B.L.
登録日2023-06-06
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Human ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a pyrazolopyrimidine carboxamide inhibitor
To Be Published
8B5C
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BU of 8b5c by Molmil
Human BRD4 bromdomain 1 in complex with a H4 peptide containing ApmTri (H4K5/8ApmTri)
分子名称: Bromodomain-containing protein 4, H4K5/8ApmTri
著者Braun, M.B, Bartlick, N, Stehle, T.
登録日2022-09-22
公開日2023-01-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Synthesis, Biochemical Characterization, and Genetic Encoding of a 1,2,4-Triazole Amino Acid as an Acetyllysine Mimic for Bromodomains of the BET Family.
Angew.Chem.Int.Ed.Engl., 62, 2023
8B5A
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BU of 8b5a by Molmil
Human BRD3 bromodomain 2 in complex with a H4 peptide containing ApmTri (H4K20ApmTri)
分子名称: Bromodomain-containing protein 3, H4K20ApmTri
著者Braun, M.B, Bartlick, N, Stehle, T.
登録日2022-09-22
公開日2023-01-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Synthesis, Biochemical Characterization, and Genetic Encoding of a 1,2,4-Triazole Amino Acid as an Acetyllysine Mimic for Bromodomains of the BET Family.
Angew.Chem.Int.Ed.Engl., 62, 2023
8OHD
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BU of 8ohd by Molmil
60S ribosomal subunit bound to the E3-UFM1 complex - state 3 (native)
分子名称: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Penchev, I, DaRosa, P.A, Becker, T, Beckmann, R, Kopito, R.
登録日2023-03-21
公開日2024-02-21
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献UFM1 E3 ligase promotes recycling of 60S ribosomal subunits from the ER.
Nature, 627, 2024
8OJ8
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BU of 8oj8 by Molmil
60S ribosomal subunit bound to the E3-UFM1 complex - state 1 (native)
分子名称: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Penchev, I, DaRosa, P.A, Becker, T, Beckmann, R, Kopito, R.
登録日2023-03-24
公開日2024-02-21
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献UFM1 E3 ligase promotes recycling of 60S ribosomal subunits from the ER.
Nature, 627, 2024
8B8T
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BU of 8b8t by Molmil
Open conformation of the complex of DNA ligase I on PCNA and DNA in the presence of ATP
分子名称: DNA ligase 1, Proliferating cell nuclear antigen
著者Blair, K, Tehseen, M, Raducanu, V.S, Shahid, T, Lancey, C, Cruehet, R, Hamdan, S, De Biasio, A.
登録日2022-10-05
公開日2023-01-11
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Mechanism of human Lig1 regulation by PCNA in Okazaki fragment sealing.
Nat Commun, 13, 2022
6G6R
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BU of 6g6r by Molmil
Human Methionine Adenosyltransferase II with SAMe and PPNP
分子名称: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
著者Panmanee, J, Antonyuk, S.V, Hasnain, S.S.
登録日2018-04-02
公開日2019-04-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds.
Febs J., 286, 2019
8OM9
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BU of 8om9 by Molmil
MutSbeta bound to (CAG)2 DNA (open form)
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ...
著者Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C.
登録日2023-03-31
公開日2023-05-24
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献MutSbeta bound to (CAG)2 DNA (open form)
To Be Published
8OLX
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BU of 8olx by Molmil
MutSbeta bound to (CAG)2 DNA (canonical form)
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA (25-MER), DNA mismatch repair protein Msh2, ...
著者Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C.
登録日2023-03-30
公開日2023-05-24
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献MutSbeta bound to (CAG)2 DNA (canonical form)
To Be Published
8OM5
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BU of 8om5 by Molmil
DNA-free open form of MutSbeta
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ...
著者Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C.
登録日2023-03-31
公開日2023-05-24
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献DNA-free open form of MutSbeta
To Be Published
8OMA
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BU of 8oma by Molmil
MutSbeta bound to 61bp homoduplex DNA
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ...
著者Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C.
登録日2023-03-31
公開日2023-05-24
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献MutSbeta bound to 61bp homoduplex DNA
To Be Published
8OMO
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BU of 8omo by Molmil
DNA-unbound MutSbeta-ATP complex (bent clamp form)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ...
著者Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C.
登録日2023-03-31
公開日2023-05-24
実験手法ELECTRON MICROSCOPY (3.43 Å)
主引用文献DNA-unbound MutSbeta-ATP complex (bent clamp form)
To Be Published
8OMQ
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BU of 8omq by Molmil
DNA-unbound MutSbeta-ATP complex (straight clamp form)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ...
著者Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C.
登録日2023-03-31
公開日2023-05-24
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献DNA-unbound MutSbeta-ATP complex (straight clamp form)
To Be Published
6GKO
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BU of 6gko by Molmil
Mouse thymidylate synthase cocrystallized with dUMP and soaked in phenolphthalein
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one, DIMETHYL SULFOXIDE, ...
著者Maj, P, Wilk, P, Jarmula, A, Weiss, M.S, Rode, W.
登録日2018-05-21
公開日2019-06-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.839 Å)
主引用文献Thymidylate synthase fragment screening
To Be Published
6GNJ
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BU of 6gnj by Molmil
Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, trimeric crystal form in complex with STO1101
分子名称: 14-3-3 protein beta/alpha, 3-(12-oxidanylidene-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid, Exoenzyme S
著者Karlberg, T, Pinto, A.F, Hornyak, P, Thorsell, A.G, Nareoja, K, Schuler, H.
登録日2018-05-31
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface.
Nat Commun, 9, 2018
6GWS
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BU of 6gws by Molmil
Crystal structure of human PCNA in complex with three p15 peptides
分子名称: PCNA-associated factor, Proliferating cell nuclear antigen
著者De March, M, Merino, N, Gonzalez-Magana, A, Romano-Moreno, M, Onesti, S, Blanco, F.J, De Biasio, A.
登録日2018-06-25
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献p15PAF binding to PCNA modulates the DNA sliding surface.
Nucleic Acids Res., 46, 2018
6H0F
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BU of 6h0f by Molmil
Structure of DDB1-CRBN-pomalidomide complex bound to IKZF1(ZF2)
分子名称: DNA damage-binding protein 1,DNA damage-binding protein 1,DNA damage-binding protein 1,DNA damage-binding protein 1, DNA-binding protein Ikaros, Protein cereblon, ...
著者Petzold, G, Bunker, R.D, Thoma, N.H.
登録日2018-07-09
公開日2018-11-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Defining the human C2H2 zinc finger degrome targeted by thalidomide analogs through CRBN.
Science, 362, 2018

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